N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide

C22H23ClN4O — CID 18137864

IUPACN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1c1ccccc1)Nc1ccnn1Cc1cccc(Cl)c1
InChIInChI=1S/C22H23ClN4O/c23-19-9-4-6-17(14-19)15-27-21(11-12-24-27)25-22(28)16-26-13-5-10-20(26)18-7-2-1-3-8-18/h1-4,6-9,11-12,14,20H,5,10,13,15-16H2,(H,25,28)
InChIKeyCSAHFBBQHCMHHQ-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.36
Rot. Bonds6

About N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide (PubChem CID 18137864) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
PubChem CID18137864
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC NameN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1c1ccccc1)Nc1ccnn1Cc1cccc(Cl)c1
InChIInChI=1S/C22H23ClN4O/c23-19-9-4-6-17(14-19)15-27-21(11-12-24-27)25-22(28)16-26-13-5-10-20(26)18-7-2-1-3-8-18/h1-4,6-9,11-12,14,20H,5,10,13,15-16H2,(H,25,28)
InChIKeyCSAHFBBQHCMHHQ-UHFFFAOYSA-N
XLogP4.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 18127266
(2R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 100627057
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide
CID 47007012
(3R)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41131391
1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906680
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide
CID 51090020
N-(2,6-dimethylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448251
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 17464978
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide (CID 18137864) is N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide is O=C(CN1CCCC1c1ccccc1)Nc1ccnn1Cc1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is CSAHFBBQHCMHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-19-9-4-6-17(14-19)15-27-21(11-12-24-27)25-22(28)16-26-13-5-10-20(26)18-7-2-1-3-8-18/h1-4,6-9,11-12,14,20H,5,10,13,15-16H2,(H,25,28).
What are the key properties of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide?
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 394.91 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 18137864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).